methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate

C11H13N3O2 — CID 134879833

IUPACmethyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate
SMILESCC#CCCN(C(=O)OC)c1cccnn1
InChIInChI=1S/C11H13N3O2/c1-3-4-5-9-14(11(15)16-2)10-7-6-8-12-13-10/h6-8H,5,9H2,1-2H3
InChIKeyNVYAXCJRYFVZML-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.46
Rot. Bonds3

About methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate

methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate (PubChem CID 134879833) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate.

Molecular Properties

Compound Namemethyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate
PubChem CID134879833
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate
SMILESCC#CCCN(C(=O)OC)c1cccnn1
InChIInChI=1S/C11H13N3O2/c1-3-4-5-9-14(11(15)16-2)10-7-6-8-12-13-10/h6-8H,5,9H2,1-2H3
InChIKeyNVYAXCJRYFVZML-UHFFFAOYSA-N
XLogP1.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate?
The IUPAC name of methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate (CID 134879833) is methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate.
What is the SMILES notation for methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate?
The canonical SMILES for methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate is CC#CCCN(C(=O)OC)c1cccnn1.
What is the InChIKey of methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate?
The InChIKey is NVYAXCJRYFVZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-4-5-9-14(11(15)16-2)10-7-6-8-12-13-10/h6-8H,5,9H2,1-2H3.
What are the key properties of methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate?
methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate has a molecular weight of 219.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-pent-3-ynyl-N-pyridazin-3-ylcarbamate is sourced from PubChem (CID 134879833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).